1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide

C23H21N9O2 — CID 67387865

IUPAC1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCc1cc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)n[nH]1
InChIInChI=1S/C23H21N9O2/c1-14-10-16(30-29-14)11-24-21(33)17-12-25-31(2)20(17)22(34)27-19-8-9-32-13-18(26-23(32)28-19)15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,24,33)(H,29,30)(H,26,27,28,34)
InChIKeyALIKRYGZBPKERU-UHFFFAOYSA-N
MW455.48 g/mol
LogP2.34
Rot. Bonds6

About 1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide

1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 67387865) has the molecular formula C23H21N9O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is 1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID67387865
Molecular FormulaC23H21N9O2
Molecular Weight455.48 g/mol
Exact Mass455.18
IUPAC Name1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCc1cc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)n[nH]1
InChIInChI=1S/C23H21N9O2/c1-14-10-16(30-29-14)11-24-21(33)17-12-25-31(2)20(17)22(34)27-19-8-9-32-13-18(26-23(32)28-19)15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,24,33)(H,29,30)(H,26,27,28,34)
InChIKeyALIKRYGZBPKERU-UHFFFAOYSA-N
XLogP2.34
TPSA134.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (CID 67387865) is 1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is Cc1cc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)n[nH]1.
What is the InChIKey of 1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is ALIKRYGZBPKERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N9O2/c1-14-10-16(30-29-14)11-24-21(33)17-12-25-31(2)20(17)22(34)27-19-8-9-32-13-18(26-23(32)28-19)15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,24,33)(H,29,30)(H,26,27,28,34).
What are the key properties of 1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 455.48 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 67387865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).